Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7jkq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N LYS 600.A O no hydrogen 3.293 N/A HIS 12.A N GLN 824.A OE1 no hydrogen 3.065 N/A LEU 17.A N SER 13.A O no hydrogen 2.869 N/A ARG 18.A N TRP 14.A O no hydrogen 2.931 N/A ARG 18.A NH1 ASP 15.A OD1 no hydrogen 3.565 N/A SER 19.A N ASP 15.A O no hydrogen 2.909 N/A SER 19.A OG GLY 16.A O no hydrogen 2.336 N/A ILE 20.A N GLY 16.A O no hydrogen 2.911 N/A ILE 21.A N LEU 17.A O no hydrogen 2.932 N/A HIS 22.A N ARG 18.A O no hydrogen 2.858 N/A GLY 23.A N SER 19.A O no hydrogen 2.924 N/A SER 24.A N ILE 20.A O no hydrogen 2.902 N/A SER 24.A N ILE 21.A O no hydrogen 3.103 N/A SER 24.A OG ILE 21.A O no hydrogen 2.410 N/A ARG 25.A N ILE 21.A O no hydrogen 2.969 N/A ARG 25.A N HIS 22.A O no hydrogen 2.971 N/A SER 28.A OG ARG 25.A O no hydrogen 3.211 N/A LEU 30.A N TYR 27.A O no hydrogen 3.146 N/A ILE 31.A N TYR 27.A O no hydrogen 2.729 N/A LYS 34.A NZ HIS 37.A NE2 no hydrogen 3.084 N/A GLN 40.A N TYR 56.A O no hydrogen 2.815 N/A GLN 40.A NE2 PHE 41.A O no hydrogen 3.626 N/A VAL 42.A N ARG 54.A O no hydrogen 3.024 N/A LYS 44.A N SER 52.A O no hydrogen 2.956 N/A LYS 44.A NZ GLU 73.A OE2 no hydrogen 3.234 N/A THR 45.A OG1 LYS 44.A O no hydrogen 2.684 N/A SER 52.A N ILE 74.A O no hydrogen 2.581 N/A SER 52.A OG HIS 53.A ND1 no hydrogen 2.771 N/A SER 52.A OG ILE 74.A O no hydrogen 3.010 N/A SER 52.A OG PRO 75.A O no hydrogen 2.980 N/A HIS 53.A N ILE 74.A O no hydrogen 3.141 N/A HIS 53.A ND1 SER 52.A OG no hydrogen 2.771 N/A ARG 54.A N VAL 42.A O no hydrogen 2.858 N/A ARG 54.A NE GLU 73.A OE2 no hydrogen 3.247 N/A ARG 54.A NH1 MET 135.A O no hydrogen 2.953 N/A ARG 54.A NH2 GLU 73.A OE1 no hydrogen 2.616 N/A ARG 54.A NH2 MET 135.A O no hydrogen 2.857 N/A LEU 55.A N SER 72.A O no hydrogen 3.034 N/A TYR 56.A N GLN 40.A O no hydrogen 2.905 N/A TYR 57.A N LEU 70.A O no hydrogen 3.168 N/A TYR 57.A OH SER 72.A OG no hydrogen 2.734 N/A LEU 58.A N HIS 37.A O no hydrogen 3.076 N/A GLY 59.A N SER 68.A O no hydrogen 2.850 N/A GLU 66.A N SER 64.A OG no hydrogen 3.261 N/A ASN 67.A N PHE 101.A O no hydrogen 2.624 N/A SER 68.A N GLY 59.A O no hydrogen 2.834 N/A LEU 70.A N TYR 57.A O no hydrogen 2.707 N/A TYR 71.A N LYS 89.A O no hydrogen 2.913 N/A SER 72.A N LEU 55.A O no hydrogen 2.943 N/A SER 72.A OG TYR 57.A OH no hydrogen 2.734 N/A SER 72.A OG SER 87.A O no hydrogen 3.357 N/A ILE 74.A N HIS 53.A O no hydrogen 3.232 N/A LYS 76.A N PRO 50.A O no hydrogen 2.988 N/A LEU 86.A N SER 558.A O no hydrogen 3.100 N/A LYS 89.A N TYR 71.A O no hydrogen 2.910 N/A LYS 89.A NZ SER 87.A OG no hydrogen 2.438 N/A ASP 93.A N ASP 93.A OD1 no hydrogen 2.439 N/A HIS 94.A N LEU 92.A O no hydrogen 3.075 N/A GLN 96.A NE2 GLU 66.A OE2 no hydrogen 3.546 N/A THR 98.A OG1 GLU 66.A OE1 no hydrogen 2.395 N/A ILE 103.A N ASN 67.A O no hydrogen 2.923 N/A TYR 106.A OH ASP 38.A O no hydrogen 3.163 N/A ASP 107.A N LEU 116.A O no hydrogen 2.885 N/A HIS 109.A N LEU 114.A O no hydrogen 2.961 N/A HIS 109.A ND1 SER 112.A OG no hydrogen 3.049 N/A HIS 109.A NE2 PRO 159.A O no hydrogen 3.050 N/A SER 112.A N HIS 109.A ND1 no hydrogen 3.304 N/A SER 112.A OG HIS 109.A ND1 no hydrogen 3.049 N/A LEU 114.A N HIS 109.A O no hydrogen 2.974 N/A PHE 115.A N CYS 126.A O no hydrogen 2.862 N/A LEU 116.A N ASP 107.A O no hydrogen 2.954 N/A PHE 117.A N PHE 124.A O no hydrogen 2.879 N/A ALA 119.A N SER 122.A O no hydrogen 3.235 N/A SER 120.A OG SER 120.A O no hydrogen 2.458 N/A SER 122.A N ALA 119.A O no hydrogen 3.371 N/A SER 122.A OG LEU 123.A O no hydrogen 3.492 N/A SER 122.A OG GLU 143.A OE1 no hydrogen 2.284 N/A PHE 124.A N PHE 117.A O no hydrogen 2.946 N/A HIS 125.A N LEU 142.A O no hydrogen 2.899 N/A CYS 126.A N PHE 115.A O no hydrogen 2.960 N/A CYS 126.A SG PHE 115.A O no hydrogen 3.930 N/A ASP 128.A N GLY 113.A O no hydrogen 2.936 N/A GLY 130.A N ASN 132.A OD1 no hydrogen 3.181 N/A ILE 144.A N LEU 123.A O no hydrogen 2.993 N/A LYS 145.A NZ GLU 143.A OE2 no hydrogen 2.743 N/A GLN 147.A N GLU 183.A OE2 no hydrogen 2.998 N/A CYS 148.A N THR 146.A OG1 no hydrogen 3.068 N/A CYS 148.A SG THR 146.A OG1 no hydrogen 2.727 N/A ARG 152.A NH1 ILE 144.A O no hydrogen 2.825 N/A ARG 152.A NH2 GLU 143.A OE1 no hydrogen 3.348 N/A ARG 152.A NH2 ILE 144.A O no hydrogen 2.630 N/A MET 153.A N ILE 168.A O no hydrogen 2.712 N/A LYS 156.A N SER 166.A O no hydrogen 2.880 N/A LYS 156.A NZ THR 218.A OG1 no hydrogen 2.952 N/A LYS 156.A NZ TYR 220.A O no hydrogen 2.691 N/A ILE 157.A N ASP 107.A OD2 no hydrogen 3.456 N/A CYS 158.A N PHE 164.A O no hydrogen 2.955 N/A ALA 163.A N ASP 161.A OD2 no hydrogen 3.120 N/A PHE 164.A N ASP 161.A O no hydrogen 3.282 N/A PHE 165.A N ALA 176.A O no hydrogen 3.030 N/A SER 166.A N LYS 156.A O no hydrogen 2.912 N/A SER 166.A OG LYS 156.A O no hydrogen 3.368 N/A PHE 167.A N TRP 174.A O no hydrogen 3.012 N/A ILE 168.A N MET 153.A O no hydrogen 2.683 N/A ASN 169.A N ASP 172.A O no hydrogen 2.893 N/A ASN 169.A ND2 SER 149.A O no hydrogen 3.365 N/A ASN 170.A ND2 SER 149.A O no hydrogen 3.188 N/A SER 171.A OG SER 171.A O no hydrogen 2.400 N/A SER 171.A OG SER 202.A OG no hydrogen 3.063 N/A ASP 172.A N ASN 169.A O no hydrogen 3.165 N/A TRP 174.A N PHE 167.A O no hydrogen 2.837 N/A VAL 175.A N ARG 184.A O no hydrogen 2.938 N/A ALA 176.A N PHE 165.A O no hydrogen 2.842 N/A ASN 177.A ND2 ALA 163.A O no hydrogen 2.638 N/A ASN 177.A ND2 GLU 179.A OE1 no hydrogen 3.242 N/A ILE 178.A N ALA 163.A O no hydrogen 2.970 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.857 N/A THR 180.A N ASN 177.A OD1 no hydrogen 3.219 N/A THR 180.A OG1 ASN 177.A OD1 no hydrogen 2.520 N/A GLY 181.A N ASN 177.A O no hydrogen 3.159 N/A ARG 184.A N VAL 175.A O no hydrogen 2.833 N/A ARG 184.A NH1 VAL 295.A O no hydrogen 3.529 N/A ARG 185.A NE THR 187.A O no hydrogen 2.813 N/A LEU 186.A N LEU 173.A O no hydrogen 2.885 N/A THR 187.A OG1 TYR 241.A OH no hydrogen 3.342 N/A CYS 189.A SG ASP 172.A OD1 no hydrogen 3.269 N/A CYS 189.A SG GLU 243.A OE2 no hydrogen 3.205 N/A HIS 190.A ND1 LYS 201.A O no hydrogen 3.047 N/A GLY 192.A N ASP 199.A OD1 no hydrogen 3.323 N/A SER 194.A OG ASN 195.A OD1 no hydrogen 3.125 N/A ASN 195.A N SER 194.A OG no hydrogen 2.398 N/A ASP 198.A N ASN 195.A O no hydrogen 3.017 N/A SER 202.A N VAL 244.A O no hydrogen 2.863 N/A SER 202.A OG SER 171.A OG no hydrogen 3.063 N/A SER 202.A OG GLU 246.A OE1 no hydrogen 3.326 N/A ALA 203.A N SER 171.A O no hydrogen 3.193 N/A GLY 204.A N GLU 242.A O no hydrogen 3.295 N/A GLN 211.A N THR 207.A O no hydrogen 2.890 N/A GLU 212.A N PHE 208.A O no hydrogen 2.893 N/A GLU 213.A N VAL 209.A O no hydrogen 2.988 N/A PHE 214.A N ILE 210.A O no hydrogen 3.178 N/A ARG 216.A N ILE 210.A O no hydrogen 3.479 N/A ARG 216.A NE THR 218.A O no hydrogen 2.441 N/A ARG 216.A NH2 THR 218.A O no hydrogen 3.504 N/A THR 218.A OG1 ASP 154.A OD2 no hydrogen 3.181 N/A THR 218.A OG1 TYR 220.A O no hydrogen 3.087 N/A TYR 220.A N THR 218.A OG1 no hydrogen 3.277 N/A TYR 220.A OH ASP 154.A O no hydrogen 2.620 N/A TRP 221.A N LEU 240.A O no hydrogen 2.772 N/A TRP 222.A NE1 LYS 156.A O no hydrogen 3.215 N/A CYS 223.A N ARG 238.A O no hydrogen 3.017 N/A CYS 223.A SG THR 225.A O no hydrogen 3.460 N/A CYS 223.A SG GLY 325.A O no hydrogen 4.050 N/A THR 225.A OG1 ASP 324.A O no hydrogen 3.077 N/A SER 231.A OG GLU 232.A OE1 no hydrogen 2.669 N/A LYS 235.A N THR 288.A O no hydrogen 2.861 N/A THR 236.A N SER 227.A O no hydrogen 3.051 N/A LEU 237.A N PHE 286.A O no hydrogen 2.819 N/A ILE 239.A N ALA 284.A O no hydrogen 2.931 N/A LEU 240.A N TRP 221.A O no hydrogen 2.890 N/A TYR 241.A N LYS 282.A O no hydrogen 2.873 N/A TYR 241.A OH GLU 243.A OE1 no hydrogen 3.318 N/A GLU 242.A N GLY 219.A O no hydrogen 2.930 N/A VAL 244.A N SER 202.A O no hydrogen 3.284 N/A ASP 245.A N LYS 278.A O no hydrogen 2.894 N/A GLU 246.A N PRO 200.A O no hydrogen 2.963 N/A SER 247.A N ASP 245.A OD1 no hydrogen 3.353 N/A SER 247.A OG ASP 245.A OD1 no hydrogen 2.436 N/A ILE 252.A N TYR 267.A O no hydrogen 2.910 N/A VAL 254.A N ASP 265.A O no hydrogen 2.989 N/A SER 256.A N LYS 263.A O no hydrogen 3.179 N/A ALA 258.A N SER 256.A OG no hydrogen 3.395 N/A ARG 262.A N LEU 259.A O no hydrogen 3.191 N/A ASP 265.A N VAL 254.A O no hydrogen 2.822 N/A SER 266.A OG HIS 253.A NE2 no hydrogen 3.399 N/A TYR 267.A N ILE 252.A O no hydrogen 2.854 N/A ARG 268.A NE VAL 196.A O no hydrogen 3.342 N/A ARG 268.A NH1 SER 247.A O no hydrogen 3.306 N/A ARG 268.A NH1 VAL 249.A O no hydrogen 3.139 N/A ARG 268.A NH2 VAL 196.A O no hydrogen 2.662 N/A TYR 269.A N GLU 250.A O no hydrogen 2.941 N/A ARG 271.A NE MET 724.A O no hydrogen 2.863 N/A ARG 271.A NH2 MET 724.A O no hydrogen 3.383 N/A THR 272.A N TYR 726.A O no hydrogen 3.323 N/A THR 272.A OG1 MET 724.A O no hydrogen 3.298 N/A GLY 273.A N GLU 732.A OE2 no hydrogen 3.339 N/A SER 274.A N ARG 271.A O no hydrogen 3.168 N/A SER 274.A OG ARG 271.A O no hydrogen 2.432 N/A LYS 275.A NZ GLU 248.A OE1 no hydrogen 2.912 N/A LYS 278.A N ASP 245.A O no hydrogen 2.862 N/A LYS 282.A N TYR 241.A O no hydrogen 2.855 N/A LEU 283.A N LYS 300.A O no hydrogen 2.944 N/A ALA 284.A N ILE 239.A O no hydrogen 2.863 N/A GLU 285.A N GLN 298.A O no hydrogen 2.916 N/A PHE 286.A N LEU 237.A O no hydrogen 3.045 N/A GLN 287.A N SER 296.A O no hydrogen 2.945 N/A ASP 289.A N LYS 293.A O no hydrogen 3.204 N/A SER 290.A OG GLN 291.A OE1 no hydrogen 2.573 N/A GLY 292.A N ASP 289.A O no hydrogen 3.332 N/A LYS 293.A N ASP 289.A OD1 no hydrogen 2.520 N/A LYS 293.A NZ ILE 294.A O no hydrogen 3.226 N/A VAL 295.A N GLN 287.A O no hydrogen 3.089 N/A GLN 298.A N GLU 285.A O no hydrogen 2.972 N/A LYS 300.A N LEU 283.A O no hydrogen 2.738 N/A LYS 300.A NZ GLU 285.A OE1 no hydrogen 3.316 N/A GLU 301.A N ILE 351.A O no hydrogen 2.813 N/A GLN 304.A NE2 TRP 432.A O no hydrogen 2.818 N/A SER 308.A N PRO 305.A O no hydrogen 3.234 N/A SER 308.A OG PRO 305.A O no hydrogen 2.722 N/A LEU 309.A N PRO 305.A O no hydrogen 2.919 N/A PHE 310.A N PHE 306.A O no hydrogen 2.873 N/A LYS 312.A NZ ASP 334.A OD2 no hydrogen 3.507 N/A GLU 314.A N LEU 333.A O no hydrogen 2.832 N/A TYR 315.A N LEU 333.A O no hydrogen 2.928 N/A ALA 317.A N MET 331.A O no hydrogen 2.974 N/A GLY 320.A N TRP 329.A O no hydrogen 2.888 N/A TRP 321.A NE1 TRP 221.A O no hydrogen 3.014 N/A THR 322.A N TYR 327.A O no hydrogen 2.958 N/A THR 322.A OG1 ASP 324.A OD1 no hydrogen 2.619 N/A THR 322.A OG1 TYR 327.A O no hydrogen 3.224 N/A GLY 325.A N THR 322.A O no hydrogen 2.891 N/A LYS 326.A N ASP 324.A OD1 no hydrogen 2.994 N/A LYS 326.A NZ TYR 327.A OH no hydrogen 3.210 N/A TYR 327.A N THR 322.A OG1 no hydrogen 3.215 N/A ALA 328.A N LEU 345.A O no hydrogen 2.966 N/A ALA 330.A N VAL 343.A O no hydrogen 2.847 N/A MET 331.A N ARG 318.A O no hydrogen 2.829 N/A PHE 332.A N GLN 341.A O no hydrogen 2.877 N/A ARG 335.A N ASP 334.A OD1 no hydrogen 2.496 N/A ARG 335.A NH2 SER 274.A O no hydrogen 2.354 N/A ARG 335.A NH2 GLU 732.A OE2 no hydrogen 3.020 N/A GLN 337.A N ASP 334.A O no hydrogen 2.919 N/A GLN 337.A NE2 GLY 729.A O no hydrogen 3.026 N/A GLN 338.A NE2 VAL 383.A O no hydrogen 2.946 N/A GLN 341.A N PHE 332.A O no hydrogen 2.974 N/A LEU 342.A N TYR 377.A O no hydrogen 2.984 N/A VAL 343.A N ALA 330.A O no hydrogen 2.846 N/A LEU 344.A N TYR 374.A O no hydrogen 3.511 N/A LEU 345.A N ALA 328.A O no hydrogen 2.804 N/A LEU 349.A N PRO 346.A O no hydrogen 2.888 N/A PHE 350.A N PRO 347.A O no hydrogen 3.281 N/A SER 353.A N GLU 299.A O no hydrogen 3.188 N/A SER 353.A OG GLU 301.A OE1 no hydrogen 3.183 N/A GLU 358.A N ASN 356.A OD1 no hydrogen 3.311 N/A ARG 360.A N ASN 356.A O no hydrogen 2.974 N/A LEU 361.A N GLU 357.A O no hydrogen 3.007 N/A ALA 362.A N GLU 358.A O no hydrogen 2.835 N/A SER 363.A N GLN 359.A O no hydrogen 3.015 N/A SER 363.A OG GLN 359.A O no hydrogen 3.552 N/A ALA 364.A N ARG 360.A O no hydrogen 2.888 N/A ARG 365.A N LEU 361.A O no hydrogen 2.808 N/A ALA 366.A N ALA 362.A O no hydrogen 2.935 N/A VAL 367.A N SER 363.A O no hydrogen 2.963 N/A VAL 375.A N PHE 443.A O no hydrogen 2.852 N/A GLU 379.A N LEU 340.A O no hydrogen 2.850 N/A THR 381.A N GLN 338.A O no hydrogen 2.946 N/A VAL 383.A N THR 381.A OG1 no hydrogen 3.212 N/A ILE 385.A N GLN 337.A O no hydrogen 2.729 N/A TYR 392.A OH GLU 472.A OE1 no hydrogen 2.751 N/A PHE 394.A N CYS 404.A O no hydrogen 2.917 N/A ASP 401.A N GLY 399.A O no hydrogen 2.519 N/A CYS 404.A SG THR 422.A OG1 no hydrogen 3.529 N/A PHE 405.A N VAL 421.A O no hydrogen 2.918 N/A ARG 407.A N TYR 419.A O no hydrogen 2.892 N/A ARG 407.A NE GLU 379.A OE2 no hydrogen 2.678 N/A ARG 407.A NH1 HIS 388.A O no hydrogen 2.615 N/A ARG 407.A NH1 ILE 390.A O no hydrogen 3.005 N/A ARG 407.A NH2 GLU 379.A OE2 no hydrogen 3.089 N/A ARG 407.A NH2 HIS 388.A O no hydrogen 2.970 N/A ASN 409.A N HIS 417.A O no hydrogen 3.028 N/A ASN 409.A ND2 TYR 377.A OH no hydrogen 2.471 N/A CYS 411.A SG GLU 379.A OE1 no hydrogen 3.903 N/A CYS 411.A SG VAL 380.A O no hydrogen 3.873 N/A CYS 411.A SG ASN 409.A OD1 no hydrogen 3.159 N/A LYS 412.A N ASN 409.A OD1 no hydrogen 2.874 N/A LYS 412.A NZ GLU 450.A OE1 no hydrogen 3.009 N/A GLY 414.A N GLU 410.A O no hydrogen 2.887 N/A CYS 416.A SG VAL 460.A O no hydrogen 3.341 N/A HIS 417.A ND1 THR 454.A OG1 no hydrogen 2.537 N/A HIS 417.A NE2 GLY 456.A O no hydrogen 3.248 N/A TYR 419.A N ARG 407.A O no hydrogen 2.944 N/A LYS 420.A N ILE 451.A O no hydrogen 2.880 N/A VAL 421.A N PHE 405.A O no hydrogen 2.880 N/A THR 422.A N GLU 449.A O no hydrogen 2.870 N/A THR 422.A OG1 GLU 449.A OE2 no hydrogen 3.131 N/A ALA 423.A N LEU 403.A O no hydrogen 2.936 N/A VAL 424.A N PRO 446.A O no hydrogen 3.317 N/A SER 427.A OG ASN 370.A O no hydrogen 2.373 N/A TYR 430.A N ARG 369.A O no hydrogen 3.033 N/A TRP 432.A NE1 VAL 371.A O no hydrogen 2.878 N/A LYS 444.A N ASP 441.A O no hydrogen 3.342 N/A CYS 445.A N VAL 375.A O no hydrogen 2.796 N/A CYS 445.A SG VAL 375.A O no hydrogen 3.345 N/A CYS 445.A SG PHE 443.A O no hydrogen 4.000 N/A GLU 449.A N THR 422.A O no hydrogen 3.054 N/A LEU 453.A N LEU 418.A O no hydrogen 3.025 N/A THR 454.A OG1 HIS 417.A ND1 no hydrogen 2.537 N/A VAL 460.A N CYS 416.A O no hydrogen 2.679 N/A LEU 461.A N GLN 480.A O no hydrogen 2.824 N/A SER 466.A N ARG 463.A O no hydrogen 3.052 N/A SER 466.A OG ARG 463.A O no hydrogen 2.592 N/A TRP 469.A N TYR 478.A O no hydrogen 2.882 N/A ASN 471.A ND2 GLU 473.A OE2 no hydrogen 3.423 N/A GLU 473.A N ASN 471.A OD1 no hydrogen 3.337 N/A LEU 476.A N ASN 471.A O no hydrogen 2.898 N/A VAL 477.A N VAL 494.A O no hydrogen 2.872 N/A TYR 478.A N TRP 469.A O no hydrogen 2.835 N/A PHE 479.A N TYR 492.A O no hydrogen 2.888 N/A GLY 481.A N HIS 490.A O no hydrogen 2.875 N/A THR 482.A N GLU 459.A O no hydrogen 3.125 N/A THR 482.A OG1 GLU 459.A O no hydrogen 3.358 N/A ASP 484.A N TYR 492.A OH no hydrogen 2.956 N/A GLU 488.A N THR 485.A O no hydrogen 3.474 N/A HIS 490.A N GLY 481.A O no hydrogen 2.913 N/A HIS 490.A ND1 THR 506.A OG1 no hydrogen 2.965 N/A HIS 490.A NE2 GLU 488.A OE1 no hydrogen 2.428 N/A LEU 491.A N THR 506.A OG1 no hydrogen 3.149 N/A TYR 492.A N PHE 479.A O no hydrogen 2.805 N/A TYR 492.A OH ASP 484.A OD1 no hydrogen 2.744 N/A VAL 493.A N VAL 503.A O no hydrogen 2.869 N/A VAL 494.A N VAL 477.A O no hydrogen 3.030 N/A SER 495.A OG LYS 475.A O no hydrogen 3.500 N/A GLU 497.A N SER 495.A OG no hydrogen 3.250 N/A ALA 498.A N SER 495.A OG no hydrogen 3.272 N/A VAL 503.A N VAL 493.A O no hydrogen 2.971 N/A ARG 504.A NH1 THR 506.A O no hydrogen 3.118 N/A LEU 505.A N LEU 491.A O no hydrogen 2.851 N/A THR 506.A OG1 HIS 490.A ND1 no hydrogen 2.965 N/A SER 511.A N SER 528.A O no hydrogen 2.856 N/A SER 511.A OG LEU 487.A O no hydrogen 3.084 N/A SER 511.A OG ASN 618.A O no hydrogen 2.896 N/A HIS 512.A N HIS 489.A O no hydrogen 2.838 N/A HIS 512.A NE2 THR 507.A O no hydrogen 2.676 N/A SER 513.A N HIS 526.A O no hydrogen 2.905 N/A CYS 514.A SG GLN 480.A OE1 no hydrogen 3.531 N/A SER 515.A N VAL 524.A O no hydrogen 2.971 N/A SER 517.A N MET 522.A O no hydrogen 2.925 N/A SER 517.A OG ASP 521.A OD1 no hydrogen 3.452 N/A GLN 518.A NE2 PHE 41.A O no hydrogen 3.119 N/A ASN 519.A N SER 517.A OG no hydrogen 3.182 N/A ASN 519.A ND2 GLN 43.A OE1 no hydrogen 2.440 N/A PHE 520.A N SER 517.A O no hydrogen 3.191 N/A ASP 521.A N ASP 521.A OD1 no hydrogen 2.469 N/A PHE 523.A N TYR 539.A O no hydrogen 2.969 N/A VAL 524.A N SER 515.A O no hydrogen 2.916 N/A SER 525.A N HIS 537.A O no hydrogen 2.899 N/A HIS 526.A N SER 513.A O no hydrogen 2.847 N/A TYR 527.A N CYS 535.A O no hydrogen 2.867 N/A TYR 527.A OH TYR 539.A OH no hydrogen 3.253 N/A SER 528.A N SER 511.A O no hydrogen 3.008 N/A SER 529.A N THR 532.A O no hydrogen 3.156 N/A SER 529.A N THR 532.A OG1 no hydrogen 3.087 N/A SER 529.A OG THR 532.A OG1 no hydrogen 2.890 N/A VAL 530.A N ASN 618.A OD1 no hydrogen 3.050 N/A THR 532.A N SER 529.A OG no hydrogen 2.731 N/A THR 532.A OG1 SER 529.A OG no hydrogen 2.890 N/A CYS 535.A N TYR 527.A O no hydrogen 2.908 N/A CYS 535.A SG TYR 527.A O no hydrogen 3.518 N/A VAL 536.A N MET 560.A O no hydrogen 3.514 N/A HIS 537.A N SER 525.A O no hydrogen 2.943 N/A VAL 538.A N ALA 557.A O no hydrogen 2.596 N/A TYR 539.A N PHE 523.A O no hydrogen 2.903 N/A TYR 539.A OH TYR 527.A OH no hydrogen 3.253 N/A LYS 540.A N ARG 554.A O no hydrogen 2.895 N/A LEU 541.A N ASP 521.A O no hydrogen 2.921 N/A SER 542.A N GLN 552.A O no hydrogen 2.945 N/A SER 542.A OG GLN 552.A O no hydrogen 3.305 N/A HIS 550.A ND1 ASP 547.A OD2 no hydrogen 2.674 N/A HIS 550.A NE2 GLU 501.A OE2 no hydrogen 2.358 N/A LYS 551.A NZ ASP 545.A OD2 no hydrogen 3.407 N/A GLN 552.A N SER 542.A O no hydrogen 2.871 N/A ARG 554.A N LYS 540.A O no hydrogen 2.889 N/A TRP 556.A N VAL 538.A O no hydrogen 2.928 N/A ALA 557.A N VAL 538.A O no hydrogen 3.105 N/A SER 558.A N LEU 84.A O no hydrogen 2.852 N/A SER 558.A OG MET 560.A O no hydrogen 3.559 N/A MET 559.A N VAL 536.A O no hydrogen 2.715 N/A CYS 565.A SG PRO 566.A O no hydrogen 3.557 N/A TYR 569.A N PRO 566.A O no hydrogen 3.048 N/A GLU 573.A N ILE 589.A O no hydrogen 2.859 N/A PHE 575.A N GLY 587.A O no hydrogen 2.839 N/A PHE 577.A N LEU 585.A O no hydrogen 3.038 N/A THR 579.A N VAL 583.A O no hydrogen 3.212 N/A THR 579.A OG1 VAL 583.A O no hydrogen 3.311 N/A ASP 582.A N THR 579.A O no hydrogen 2.897 N/A VAL 583.A N THR 579.A OG1 no hydrogen 3.132 N/A LEU 585.A N PHE 577.A O no hydrogen 2.926 N/A GLY 587.A N PHE 575.A O no hydrogen 3.094 N/A MET 588.A N VAL 640.A O no hydrogen 2.746 N/A ILE 589.A N GLU 573.A O no hydrogen 2.875 N/A TYR 590.A N VAL 638.A O no hydrogen 2.806 N/A HIS 593.A N ALA 632.A O no hydrogen 3.146 N/A LYS 600.A N ALA 5.A O no hydrogen 2.624 N/A HIS 601.A N PHE 682.A O no hydrogen 3.030 N/A HIS 601.A ND1 GLY 635.A O no hydrogen 2.810 N/A THR 603.A N ARG 687.A O no hydrogen 3.014 N/A THR 603.A OG1 ALA 637.A O no hydrogen 3.228 N/A VAL 604.A N ALA 637.A O no hydrogen 2.792 N/A LEU 605.A N ALA 689.A O no hydrogen 2.792 N/A PHE 606.A N VAL 639.A O no hydrogen 2.905 N/A VAL 607.A N HIS 691.A O no hydrogen 2.918 N/A GLN 614.A NE2 PRO 486.A O no hydrogen 2.928 N/A LEU 615.A N ASP 642.A OD1 no hydrogen 3.383 N/A VAL 616.A N ASP 642.A OD2 no hydrogen 2.958 N/A ASN 618.A N LEU 487.A O no hydrogen 2.539 N/A PHE 620.A N SER 528.A OG no hydrogen 3.317 N/A LYS 621.A NZ LEU 615.A O no hydrogen 3.100 N/A LYS 621.A NZ ASN 617.A OD1 no hydrogen 3.423 N/A LYS 624.A N LYS 621.A O no hydrogen 3.233 N/A LYS 624.A NZ TYR 625.A OH no hydrogen 3.514 N/A TYR 625.A N LYS 621.A O no hydrogen 2.639 N/A ARG 627.A NH1 LYS 624.A O no hydrogen 3.323 N/A LEU 628.A N TYR 625.A O no hydrogen 3.287 N/A ASN 629.A ND2 ASP 568.A O no hydrogen 2.940 N/A THR 630.A N LEU 626.A O no hydrogen 2.920 N/A THR 630.A OG1 LEU 626.A O no hydrogen 2.851 N/A LEU 631.A N ARG 627.A O no hydrogen 2.891 N/A ALA 632.A N LEU 628.A O no hydrogen 2.980 N/A SER 633.A N ASN 629.A O no hydrogen 2.798 N/A SER 633.A OG ASP 568.A OD2 no hydrogen 3.524 N/A SER 633.A OG ASN 629.A O no hydrogen 3.528 N/A SER 633.A OG THR 630.A O no hydrogen 2.696 N/A LEU 634.A N THR 630.A O no hydrogen 2.992 N/A LEU 634.A N LEU 631.A O no hydrogen 3.129 N/A GLY 635.A N LEU 631.A O no hydrogen 3.002 N/A GLY 635.A N ALA 632.A O no hydrogen 2.855 N/A TYR 636.A N LEU 631.A O no hydrogen 2.973 N/A ALA 637.A N PRO 602.A O no hydrogen 2.914 N/A VAL 638.A N TYR 590.A O no hydrogen 2.988 N/A VAL 639.A N VAL 604.A O no hydrogen 2.984 N/A VAL 640.A N MET 588.A O no hydrogen 3.019 N/A ASP 642.A N TYR 586.A O no hydrogen 2.998 N/A ARG 644.A N ASP 668.A OD1 no hydrogen 2.783 N/A ARG 644.A NE ASP 668.A OD1 no hydrogen 2.761 N/A ARG 644.A NE ASP 668.A OD2 no hydrogen 3.403 N/A ARG 644.A NH2 ASP 668.A OD2 no hydrogen 2.652 N/A SER 646.A N GLY 643.A O no hydrogen 3.362 N/A SER 646.A OG VAL 613.A O no hydrogen 2.987 N/A SER 646.A OG CYS 647.A O no hydrogen 3.570 N/A ARG 649.A NH1 ARG 584.A O no hydrogen 2.864 N/A ARG 649.A NH2 ARG 584.A O no hydrogen 2.526 N/A GLY 650.A N GLU 459.A OE1 no hydrogen 2.670 N/A LEU 651.A N GLY 414.A O no hydrogen 2.531 N/A GLU 654.A N GLY 650.A O no hydrogen 3.012 N/A GLY 655.A N LEU 651.A O no hydrogen 2.834 N/A ALA 656.A N PHE 653.A O no hydrogen 3.384 N/A LYS 658.A NZ ASN 382.A O no hydrogen 3.326 N/A LYS 658.A NZ VAL 383.A O no hydrogen 3.117 N/A ASN 659.A N TYR 734.A O no hydrogen 3.244 N/A GLN 660.A N LEU 657.A O no hydrogen 3.132 N/A GLN 660.A NE2 ALA 656.A O no hydrogen 3.279 N/A GLY 662.A N GLU 665.A OE2 no hydrogen 2.606 N/A GLN 663.A N GLN 660.A O no hydrogen 3.220 N/A GLU 665.A N GLU 665.A OE1 no hydrogen 2.800 N/A ASP 668.A N VAL 664.A O no hydrogen 3.012 N/A GLN 669.A N GLU 665.A O no hydrogen 2.915 N/A GLN 669.A NE2 ILE 641.A O no hydrogen 3.212 N/A VAL 670.A N ILE 666.A O no hydrogen 2.918 N/A GLU 671.A N GLU 667.A O no hydrogen 2.953 N/A GLY 672.A N ASP 668.A O no hydrogen 2.901 N/A LEU 673.A N GLN 669.A O no hydrogen 2.936 N/A GLN 674.A N VAL 670.A O no hydrogen 2.945 N/A PHE 675.A N GLU 671.A O no hydrogen 2.919 N/A VAL 676.A N GLY 672.A O no hydrogen 2.986 N/A ALA 677.A N LEU 673.A O no hydrogen 2.884 N/A GLU 678.A N GLN 674.A O no hydrogen 3.045 N/A LYS 679.A N PHE 675.A O no hydrogen 2.978 N/A TYR 680.A N VAL 676.A O no hydrogen 2.877 N/A ASP 684.A N HIS 601.A O no hydrogen 2.918 N/A ARG 687.A N ASP 684.A O no hydrogen 3.250 N/A ARG 687.A NE ASP 684.A OD2 no hydrogen 2.721 N/A ARG 687.A NH1 PHE 7.A O no hydrogen 2.926 N/A ARG 687.A NH2 PHE 7.A O no hydrogen 2.451 N/A ARG 687.A NH2 LYS 600.A O no hydrogen 3.181 N/A ARG 687.A NH2 ASP 684.A OD2 no hydrogen 3.364 N/A ALA 689.A N THR 603.A O no hydrogen 2.818 N/A ILE 690.A N VAL 713.A O no hydrogen 3.000 N/A HIS 691.A N LEU 605.A O no hydrogen 2.995 N/A HIS 691.A ND1 ILE 715.A O no hydrogen 2.889 N/A GLY 692.A N ILE 715.A O no hydrogen 3.148 N/A TRP 693.A NE1 TYR 815.A OH no hydrogen 2.990 N/A TYR 695.A OH GLU 665.A OE2 no hydrogen 2.669 N/A GLY 696.A N TRP 693.A O no hydrogen 2.409 N/A PHE 698.A N SER 694.A O no hydrogen 3.005 N/A LEU 699.A N TYR 695.A O no hydrogen 2.850 N/A SER 700.A N GLY 696.A O no hydrogen 2.773 N/A SER 700.A OG GLY 696.A O no hydrogen 2.602 N/A LEU 701.A N GLY 697.A O no hydrogen 2.981 N/A MET 702.A N PHE 698.A O no hydrogen 2.989 N/A GLY 703.A N LEU 699.A O no hydrogen 2.708 N/A LEU 704.A N SER 700.A O no hydrogen 3.001 N/A ILE 705.A N LEU 701.A O no hydrogen 2.944 N/A HIS 706.A N MET 702.A O no hydrogen 2.874 N/A LYS 707.A N GLY 703.A O no hydrogen 2.881 N/A LYS 707.A NZ GLU 667.A OE2 no hydrogen 3.111 N/A LYS 707.A NZ HIS 706.A O no hydrogen 3.414 N/A GLN 709.A N GLN 709.A OE1 no hydrogen 2.733 N/A LYS 712.A N VAL 688.A O no hydrogen 2.615 N/A VAL 713.A N VAL 688.A O no hydrogen 3.060 N/A ALA 714.A N ARG 763.A O no hydrogen 2.891 N/A ILE 715.A N ILE 690.A O no hydrogen 2.845 N/A ALA 716.A N LEU 765.A O no hydrogen 2.906 N/A GLY 717.A N GLY 692.A O no hydrogen 2.744 N/A ALA 718.A N LEU 767.A O no hydrogen 2.627 N/A THR 721.A OG1 HIS 779.A O no hydrogen 2.606 N/A ALA 725.A N VAL 722.A O no hydrogen 3.416 N/A TYR 726.A N TRP 723.A O no hydrogen 3.324 N/A THR 728.A N PRO 270.A O no hydrogen 3.047 N/A THR 728.A OG1 PRO 270.A O no hydrogen 3.480 N/A THR 728.A OG1 ASN 276.A OD1 no hydrogen 2.659 N/A THR 731.A N ASP 727.A O no hydrogen 3.309 N/A THR 731.A OG1 ASP 727.A O no hydrogen 3.207 N/A GLU 732.A N THR 728.A O no hydrogen 2.797 N/A ARG 733.A NE TYR 734.A OH no hydrogen 3.337 N/A ARG 733.A NH2 GLU 213.A O no hydrogen 3.147 N/A TYR 734.A N TYR 730.A O no hydrogen 3.221 N/A MET 735.A N THR 731.A O no hydrogen 2.724 N/A ASP 736.A N ASN 659.A OD1 no hydrogen 2.924 N/A GLU 739.A N GLU 739.A OE2 no hydrogen 2.852 N/A ASN 741.A N VAL 737.A O no hydrogen 3.037 N/A ASN 741.A ND2 ASN 659.A O no hydrogen 3.176 N/A GLY 744.A N ASN 741.A OD1 no hydrogen 3.116 N/A TYR 745.A N ASN 741.A O no hydrogen 3.003 N/A TYR 745.A OH MET 735.A O no hydrogen 3.401 N/A GLU 746.A N GLN 742.A O no hydrogen 2.965 N/A ALA 747.A N HIS 743.A O no hydrogen 2.978 N/A GLY 748.A N GLY 744.A O no hydrogen 2.911 N/A SER 749.A N GLU 746.A O no hydrogen 3.484 N/A SER 749.A OG THR 721.A O no hydrogen 3.171 N/A ALA 751.A N THR 721.A O no hydrogen 3.009 N/A LEU 752.A N SER 749.A O no hydrogen 3.229 N/A HIS 753.A N VAL 750.A O no hydrogen 2.963 N/A HIS 753.A NE2 GLU 746.A O no hydrogen 2.550 N/A LYS 756.A N HIS 753.A O no hydrogen 3.322 N/A LEU 757.A N VAL 754.A O no hydrogen 2.912 N/A ARG 763.A NE LYS 712.A O no hydrogen 2.571 N/A ARG 763.A NH2 PRO 708.A O no hydrogen 3.292 N/A ARG 763.A NH2 PHE 711.A O no hydrogen 2.655 N/A ARG 763.A NH2 LYS 712.A O no hydrogen 3.058 N/A LEU 765.A N ALA 714.A O no hydrogen 2.981 N/A ILE 766.A N GLN 795.A O no hydrogen 2.907 N/A LEU 767.A N ALA 716.A O no hydrogen 2.892 N/A HIS 768.A N GLN 797.A O no hydrogen 2.989 N/A HIS 768.A NE2 VAL 775.A O no hydrogen 2.960 N/A PHE 770.A N TYR 799.A O no hydrogen 2.873 N/A GLU 773.A N GLU 773.A OE2 no hydrogen 2.654 N/A HIS 776.A ND1 ASP 772.A O no hydrogen 3.114 N/A HIS 779.A N HIS 776.A O no hydrogen 2.913 N/A HIS 779.A ND1 HIS 776.A O no hydrogen 3.202 N/A THR 780.A OG1 HIS 768.A ND1 no hydrogen 2.483 N/A ASN 781.A N PHE 777.A O no hydrogen 2.863 N/A PHE 782.A N PHE 778.A O no hydrogen 2.739 N/A LEU 783.A N HIS 779.A O no hydrogen 2.959 N/A VAL 784.A N THR 780.A O no hydrogen 2.852 N/A SER 785.A N ASN 781.A O no hydrogen 2.875 N/A GLN 786.A N PHE 782.A O no hydrogen 2.948 N/A LEU 787.A N LEU 783.A O no hydrogen 2.875 N/A ILE 788.A N VAL 784.A O no hydrogen 2.855 N/A ARG 789.A N SER 785.A O no hydrogen 2.928 N/A ALA 790.A N GLN 786.A O no hydrogen 2.870 N/A GLY 791.A N ILE 788.A O no hydrogen 3.226 N/A LYS 792.A N LEU 787.A O no hydrogen 2.913 N/A LYS 792.A NZ VAL 754.A O no hydrogen 3.381 N/A LYS 792.A NZ GLU 755.A O no hydrogen 2.694 N/A LYS 792.A NZ LEU 757.A O no hydrogen 2.732 N/A LYS 792.A NZ ASN 759.A OD1 no hydrogen 3.371 N/A GLN 795.A N LEU 764.A O no hydrogen 2.919 N/A GLN 795.A NE2 ASN 762.A OD1 no hydrogen 3.149 N/A GLN 797.A N ILE 766.A O no hydrogen 2.875 N/A GLN 797.A NE2 LEU 796.A O no hydrogen 2.946 N/A TYR 799.A N HIS 768.A O no hydrogen 2.920 N/A GLU 802.A N TYR 799.A O no hydrogen 3.372 N/A HIS 804.A ND1 ASP 772.A OD1 no hydrogen 2.837 N/A ARG 807.A N GLU 802.A OE1 no hydrogen 3.363 N/A CYS 808.A N GLU 802.A OE2 no hydrogen 3.165 N/A CYS 808.A SG GLU 810.A OE1 no hydrogen 3.835 N/A CYS 808.A SG GLU 810.A OE2 no hydrogen 3.114 N/A SER 811.A N GLU 810.A OE2 no hydrogen 3.248 N/A SER 811.A OG GLU 802.A OE2 no hydrogen 3.047 N/A GLY 812.A N CYS 808.A O no hydrogen 3.046 N/A GLU 813.A N PRO 809.A O no hydrogen 2.814 N/A HIS 814.A N GLU 810.A O no hydrogen 2.922 N/A TYR 815.A N SER 811.A O no hydrogen 2.975 N/A TYR 815.A OH HIS 691.A NE2 no hydrogen 2.848 N/A GLU 816.A N GLY 812.A O no hydrogen 2.955 N/A VAL 817.A N GLU 813.A O no hydrogen 2.960 N/A THR 818.A N HIS 814.A O no hydrogen 2.878 N/A THR 818.A OG1 HIS 814.A O no hydrogen 2.662 N/A LEU 819.A N TYR 815.A O no hydrogen 2.981 N/A LEU 820.A N GLU 816.A O no hydrogen 2.931 N/A HIS 821.A N VAL 817.A O no hydrogen 2.919 N/A PHE 822.A N THR 818.A O no hydrogen 2.931 N/A LEU 823.A N LEU 819.A O no hydrogen 3.025 N/A GLN 824.A N LEU 820.A O no hydrogen 2.917 N/A GLU 825.A N HIS 821.A O no hydrogen 3.009 N/A TYR 826.A N PHE 822.A O no hydrogen 2.957 N/A LEU 827.A N LEU 823.A O no hydrogen 3.181 N/A